4-methoxybutanimidamide hydrochloride

• ChemBase ID: 273978
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=N)(N)CCCOC.Cl
• Canonical SMILES: COCCCC(=N)N.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-8-4-2-3-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
• InChIKey: KQTODIFTSCWXRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybutanimidamide hydrochloride
• IUPAC Traditional name: 4-methoxybutanimidamide hydrochloride
• Synonyms: 4-methoxybutanimidamide hydrochloride

Database IDs

• MDL Number: MFCD18785590
• PubChem SID: 164329888
• PubChem CID: 54592989

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0243614
• LogD (pH = 7.4): -3.0239491
• Log P: -0.60890776
• Molar Refractivity: 42.9678 cm^3
• Polarizability: 12.503296 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.653

Product Information

• Purity: 95%